ethyl 3-[2-bromanylethanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1-pyridin-4-ylpiperidin-2-yl)methylamino]propanoate

Systemtic Name: ethyl 3-[2-bromanylethanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1-pyridin-4-ylpiperidin-2-yl)methylamino]propanoate Openeye Name: ethyl 3-[(2-bromoacetyl)-tert-butoxycarbonyl-amino]-2-[[1-(4-pyridyl)-2-piperidyl]methylamino]propanoate CAS Name: 3-[(2-bromo-1-oxoethyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(1-pyridin-4-yl-2-piperidinyl)methylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-bromoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1-pyridin-4-ylpiperidin-2-yl)methylamino]propanoate Traditional Name: 3-[(2-bromoacetyl)-tert-butoxycarbonyl-amino]-2-[[1-(4-pyridyl)-2-piperidyl]methylamino]propionic acid ethyl ester Formula: C23H35BrN4O5 MolecularWeight: 527.4518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN(C(=O)CBr)C(=O)OC(C)(C)C)NCC1CCCCN1C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C(CN(C(=O)CBr)C(=O)OC(C)(C)C)NCC1CCCCN1C2=CC=NC=C2

InChI

InChI=1S/C23H35BrN4O5/c1-5-32-21(30)19(16-28(20(29)14-24)22(31)33-23(2,3)4)26-15-18-8-6-7-13-27(18)17-9-11-25-12-10-17/h9-12,18-19,26H,5-8,13-16H2,1-4H3